2-Hydroxy-5-methylquinone
Basic information
- CAS
615-91-8- Standard SMILES
CC1=CC(=O)C(=O)C=C1O- InChIKey
BMBZVGUSOUAIMK-UHFFFAOYSA-N- Molecular formula
- C7H6O3
- Average molar mass
- 138.12 g/mol
- Monoisotopic mass
- 138.03169405
Overview
2-hydroxy-5-methylquinone is a member of the class of monohydroxy-1,4-benzoquinones that is 2-hydroxy-1,4-benzoquinone carrying an additional methyl substituent at position 5. It is a conjugate acid of a 2-oxido-5-methylquinone.
Names & identifiers
- Preferred name
- 2-Hydroxy-5-methylquinone
- IUPAC
- 4-hydroxy-5-methylcyclohexa-3,5-diene-1,2-dione
- English name
- 2-hydroxy-5-methylquinone
- Molecular formula
- C7H6O3
- Molecular weight
- 138.12
Names & synonyms
2-Hydroxy-5-methylquinone615-91-82-Hydroxy-5-methylcyclohexa-2,5-diene-1,4-dione4-hydroxy-5-methylcyclohexa-3,5-diene-1,2-dione2-Hydroxy-5-methyl-1,4-benzoquinone2-Hydroxy-5-methyl-p-benzoquinonep-Benzoquinone, 2-hydroxy-5-methyl-2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-methyl-NSC106454SCHEMBL7946964CHEBI:81667DTXSID40977065
Show more names
2-Hydroxy-5-methyl-2,5-cyclohexadiene-1,4-dione
BMBZVGUSOUAIMK-UHFFFAOYSA-N2,4-dione, 2-hydroxy-5-methyl-4-hydroxy-5-methyl-1,2-benzoquinoneNSC 106454NSC-1064542-Hydroxy-5-methylbenzo-1,4-quinone #2-Hydroxy-5-methylcyclohexandiene-1,4-dioneC18316
Database identifiers
- CAS
615-91-8- PubChem CID
- 69212
- DTXSID
DTXSID40977065- ChEBI
CHEBI:81667- Nikkaji
- J110.480B
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 258
Chemistry & industry
Additional notes
DefinitionChEBI: A member of the class of monohydroxy-1,4-benzoquinones that is 2-hydroxy-1,4-benzoquinone carrying an additional methyl substituent at position 5.
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Compound notes
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